UCSF

ZINC21838187

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 29 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.50 12.32 -25.36 1 6 0 88 441.818 6
Hi High (pH 8-9.5) 5.56 11.22 -56.12 0 6 -1 94 440.81 6

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )